ChemSpider 2D Image | (2S)-4-Iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine | C10H13IN2

(2S)-4-Iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

  • Molecular FormulaC10H13IN2
  • Average mass288.128 Da
  • Monoisotopic mass288.012329 Da
  • ChemSpider ID72380246

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-4-Iod-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin [German] [ACD/IUPAC Name]
(2S)-4-Iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine [ACD/IUPAC Name]
(2S)-4-Iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-4-iodo-2-(1-methylethyl)-, (2S)- [ACD/Index Name]
2366997-22-8 [RN]
MFCD31793561

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 348.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 164.8±27.9 °C
Index of Refraction: 1.597
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 31.99
ACD/KOC (pH 5.5): 200.82
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 358.39
ACD/KOC (pH 7.4): 2249.48
Polar Surface Area: 25 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

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